N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19(15-6-5-7-17(14-15)22(24)25)20-16-8-10-18(11-9-16)28(26,27)21-12-3-1-2-4-13-21/h5-11,14H,1-4,12-13H2,(H,20,23)